Glycoside
GD149011
Name:
2-(3,4-dihydroxyphenyl)-5-[(4-{2-[(2-{[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,5-dihydroxyoxan-4-yl)oxy]ethoxy}-3,5-dihydroxyoxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-3,7-diolFormula:
C42H46O20Smiles:
Oc1cc(OC2OCC(O)C(OCCOC3C(O)COC(Oc4cc(O)cc5c4CC(O)C(c4ccc(O)c(O)c4)O5)C3O)C2O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2Aglycone:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2.Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2Sugarmoiety:
OC1COC(O)C(O)C1OCCOC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.43 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 870.81 | Num_heavy_atoms: | 62 |
| TPSA: | 316.6 | NumAromaticRings: | 4 |
Unique Aglycone
AD04299
Formula: C15H14O6
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
